Compile Data Set for Download or QSAR

Found 212 hits with Last Name = 'christadler' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-1 receptor (RAT)	BDBM50070888 (CHEMBL298725 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1F)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H23FN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069575 (3-Benzo[1,2,5]thiadiazol-5-yl-5-hydroxy-5-(4-metho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2nsnc2c1 |c:14| Show InChI InChI=1S/C27H24N2O7S/c1-32-18-8-6-17(7-9-18)27(31)19(11-15-12-22(33-2)25(35-4)23(13-15)34-3)24(26(30)36-27)16-5-10-20-21(14-16)29-37-28-20/h5-10,12-14,31H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070884 (CHEMBL48907 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H24N2O7S/c1-33-18-8-5-16(6-9-18)25(30)19(11-15-12-22(34-2)26(36-4)23(13-15)35-3)24(27(31)32)17-7-10-20-21(14-17)29-37-28-20/h5-10,12-14H,11H2,1-4H3,(H,31,32)/p-1/b24-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070886 (CHEMBL51234 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1Cl)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H23ClN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50034263 (CHEMBL25438 | PD-156707 | Sodium; (Z)-2-benzo[1,3]...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H26O9/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21/h5-10,12-14H,11,15H2,1-4H3,(H,30,31)/p-1/b25-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070881 (CHEMBL295483 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1C)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C28H26N2O7S/c1-15-10-18(7-9-22(15)34-2)26(31)19(11-16-12-23(35-3)27(37-5)24(13-16)36-4)25(28(32)33)17-6-8-20-21(14-17)30-38-29-20/h6-10,12-14H,11H2,1-5H3,(H,32,33)/p-1/b25-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070882 ((Z)-2-Benzo[1,2,5]thiadiazol-5-yl-4-(2-fluoro-4-me...) Show SMILES COc1ccc(C(=O)C(\Cc2cc(OC)c(OC)c(OC)c2)=C(/C([O-])=O)c2ccc3nsnc3c2)c(F)c1 Show InChI InChI=1S/C27H23FN2O7S/c1-34-16-6-7-17(19(28)13-16)25(31)18(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-8-20-21(12-15)30-38-29-20/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070890 (CHEMBL51890 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H20N2O5S/c1-31-18-9-6-16(7-10-18)24(28)20(13-15-4-3-5-19(12-15)32-2)23(25(29)30)17-8-11-21-22(14-17)27-33-26-21/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070877 (CHEMBL262000 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc2OCCc2c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C26H20N2O5S/c1-32-19-6-3-16(4-7-19)25(29)20(13-15-2-9-23-17(12-15)10-11-33-23)24(26(30)31)18-5-8-21-22(14-18)28-34-27-21/h2-9,12,14H,10-11,13H2,1H3,(H,30,31)/p-1/b24-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070871 (CHEMBL431160 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1OC)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H20N2O5S/c1-31-18-10-7-15(8-11-18)24(28)19(13-16-5-3-4-6-22(16)32-2)23(25(29)30)17-9-12-20-21(14-17)27-33-26-20/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075421 (7-(Ethyl-methanesulfonyl-amino)-1-(2-methoxy-benzy...) Show SMILES CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O Show InChI InChI=1S/C30H28N2O8S/c1-5-32(41(4,36)37)20-12-15-22-24(16-20)40-28-25(18-10-13-21(38-2)14-11-18)26(30(34)35)29(33)31(27(22)28)17-19-8-6-7-9-23(19)39-3/h6-16H,5,17H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070873 (CHEMBL301577 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1cc(C\C(C(=O)c2cc(OC)c(OC)c(OC)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C29H28N2O9S/c1-35-21-10-15(11-22(36-2)27(21)39-5)9-18(25(29(33)34)16-7-8-19-20(12-16)31-41-30-19)26(32)17-13-23(37-3)28(40-6)24(14-17)38-4/h7-8,10-14H,9H2,1-6H3,(H,33,34)/p-1/b25-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070892 (CHEMBL299572 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1cccc(c1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H24N2O7S/c1-33-18-7-5-6-17(13-18)25(30)19(10-15-11-22(34-2)26(36-4)23(12-15)35-3)24(27(31)32)16-8-9-20-21(14-16)29-37-28-20/h5-9,11-14H,10H2,1-4H3,(H,31,32)/p-1/b24-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070876 (CHEMBL299328 | Sodium; (Z)-4-benzo[1,3]dioxol-5-yl...) Show SMILES COc1cc(C\C(C(=O)c2ccc3OCOc3c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C27H22N2O8S/c1-33-22-9-14(10-23(34-2)26(22)35-3)8-17(25(30)16-5-7-20-21(12-16)37-13-36-20)24(27(31)32)15-4-6-18-19(11-15)29-38-28-18/h4-7,9-12H,8,13H2,1-3H3,(H,31,32)/p-1/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50057155 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(4-methoxy-...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C([O-])=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H20O6/c1-29-19-10-7-17(8-11-19)24(26)20(13-16-5-3-2-4-6-16)23(25(27)28)18-9-12-21-22(14-18)31-15-30-21/h2-12,14H,13,15H2,1H3,(H,27,28)/p-1/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075429 (7-(Methanesulfonyl-methyl-amino)-1-(2-methoxy-benz...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c3ccc(cc3oc12)N(C)S(C)(=O)=O Show InChI InChI=1S/C29H26N2O8S/c1-30(40(4,35)36)19-11-14-21-23(15-19)39-27-24(17-9-12-20(37-2)13-10-17)25(29(33)34)28(32)31(26(21)27)16-18-7-5-6-8-22(18)38-3/h5-15H,16H2,1-4H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070891 (CHEMBL48458 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1cc(C\C(C(=O)c2ccc(F)cc2OC)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C27H23FN2O7S/c1-34-21-13-16(28)6-7-17(21)25(31)18(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-8-19-20(12-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075422 (7-(Methanesulfonyl-propyl-amino)-1-(2-methoxy-benz...) Show SMILES CCCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O Show InChI InChI=1S/C31H30N2O8S/c1-5-16-33(42(4,37)38)21-12-15-23-25(17-21)41-29-26(19-10-13-22(39-2)14-11-19)27(31(35)36)30(34)32(28(23)29)18-20-8-6-7-9-24(20)40-3/h6-15,17H,5,16,18H2,1-4H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070879 (CHEMBL299521 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(OC)c(F)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H19FN2O5S/c1-32-17-7-4-15(5-8-17)24(29)18(11-14-3-10-22(33-2)19(26)12-14)23(25(30)31)16-6-9-20-21(13-16)28-34-27-20/h3-10,12-13H,11H2,1-2H3,(H,30,31)/p-1/b23-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070869 (CHEMBL48411 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccccc1C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H24N2O7S/c1-33-21-8-6-5-7-17(21)25(30)18(11-15-12-22(34-2)26(36-4)23(13-15)35-3)24(27(31)32)16-9-10-19-20(14-16)29-37-28-19/h5-10,12-14H,11H2,1-4H3,(H,31,32)/p-1/b24-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070889 (CHEMBL51030 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(SC)cc1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H20N2O4S2/c1-31-18-8-5-16(6-9-18)24(28)20(13-15-3-10-19(32-2)11-4-15)23(25(29)30)17-7-12-21-22(14-17)27-33-26-21/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50290940 (CHEMBL94929 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-di...) Show SMILES Cc1cc(C)c(=O)n(n1)C(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O6S/c1-15-12-16(2)26-28(24(15)30)22(17-6-11-20-21(13-17)34-14-33-20)23(29)27-35(31,32)19-9-7-18(8-10-19)25(3,4)5/h6-13,22H,14H2,1-5H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]-ET-1 (endothelin 1) to the endothelin A receptor of rat aorta membranes				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50290940 (CHEMBL94929 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-di...) Show SMILES Cc1cc(C)c(=O)n(n1)C(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O6S/c1-15-12-16(2)26-28(24(15)30)22(17-6-11-20-21(13-17)34-14-33-20)23(29)27-35(31,32)19-9-7-18(8-10-19)25(3,4)5/h6-13,22H,14H2,1-5H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]-ET-1 (endothelin 1) to the endothelin A receptor of rat aorta membranes				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50290940 (CHEMBL94929 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-di...) Show SMILES Cc1cc(C)c(=O)n(n1)C(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O6S/c1-15-12-16(2)26-28(24(15)30)22(17-6-11-20-21(13-17)34-14-33-20)23(29)27-35(31,32)19-9-7-18(8-10-19)25(3,4)5/h6-13,22H,14H2,1-5H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the antagonism at the Endothelin A receptor (G-protein coupled endothelin A)				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075412 (1-(2,5-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cc(OC)ccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-18-10-8-16(9-11-18)23-24(28(31)32)27(30)29(15-17-14-19(34-2)12-13-21(17)35-3)25-20-6-4-5-7-22(20)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069569 (5-Dimethylamino-naphthalene-1-sulfonic acid benzo[...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2nsnc2c1 Show InChI InChI=1S/C18H16N4O2S2/c1-22(2)17-7-3-6-14-13(17)5-4-8-18(14)26(23,24)21-12-9-10-15-16(11-12)20-25-19-15/h3-11,21H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070878 (CHEMBL48881 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C24H18N2O4S/c1-30-18-10-7-16(8-11-18)23(27)19(13-15-5-3-2-4-6-15)22(24(28)29)17-9-12-20-21(14-17)26-31-25-20/h2-12,14H,13H2,1H3,(H,28,29)/p-1/b22-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075435 (7-Amino-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(N)ccc21 Show InChI InChI=1S/C27H22N2O6/c1-33-18-10-7-15(8-11-18)22-23(27(31)32)26(30)29(14-16-5-3-4-6-20(16)34-2)24-19-12-9-17(28)13-21(19)35-25(22)24/h3-13H,14,28H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070874 (CHEMBL301971 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(C\C(C(=O)c2ccc(OC)cc2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc1 Show InChI InChI=1S/C25H20N2O5S/c1-31-18-8-3-15(4-9-18)13-20(24(28)16-5-10-19(32-2)11-6-16)23(25(29)30)17-7-12-21-22(14-17)27-33-26-21/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070868 (CHEMBL49675 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1cc(C\C(C(=O)c2ccc3OCCc3c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C28H24N2O7S/c1-34-23-11-15(12-24(35-2)27(23)36-3)10-19(26(31)18-5-7-22-16(13-18)8-9-37-22)25(28(32)33)17-4-6-20-21(14-17)30-38-29-20/h4-7,11-14H,8-10H2,1-3H3,(H,32,33)/p-1/b25-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50290949 (CHEMBL94918 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-di...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)NC(=O)C(c1ccc2OCOc2c1)n1nc(C)cc(C)c1=O Show InChI InChI=1S/C24H25N3O6S/c1-14(2)17-5-8-19(9-6-17)34(30,31)26-23(28)22(27-24(29)15(3)11-16(4)25-27)18-7-10-20-21(12-18)33-13-32-20/h5-12,14,22H,13H2,1-4H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the antagonism at the Endothelin A receptor (G-protein coupled endothelin A)				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50290953 (CHEMBL96762 | N-[2-Benzo[1,3]dioxol-5-yl-2-(5-ethy...) Show SMILES CCc1cc(C)nn(C(C(=O)NS(=O)(=O)c2ccc(cc2)C(C)C)c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C25H27N3O6S/c1-5-17-12-16(4)26-28(25(17)30)23(19-8-11-21-22(13-19)34-14-33-21)24(29)27-35(31,32)20-9-6-18(7-10-20)15(2)3/h6-13,15,23H,5,14H2,1-4H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]-ET-1 (endothelin 1) to the endothelin A receptor of rat aorta membranes				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50290950 (CHEMBL421563 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3-met...) Show SMILES Cc1ccc(=O)n(n1)C(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H25N3O6S/c1-15-5-12-21(28)27(25-15)22(16-6-11-19-20(13-16)33-14-32-19)23(29)26-34(30,31)18-9-7-17(8-10-18)24(2,3)4/h5-13,22H,14H2,1-4H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]-ET-1 (endothelin 1) to the endothelin A receptor of rat aorta membranes				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069571 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4nsnc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C25H19N3O6S/c1-31-20-9-15-18(10-21(20)32-2)28(11-13-3-5-16-17(7-13)27-35-26-16)24(25(29)30)23(15)14-4-6-19-22(8-14)34-12-33-19/h3-10H,11-12H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50290952 (CHEMBL330424 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3-met...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)NC(=O)C(c1ccc2OCOc2c1)n1nc(C)ccc1=O Show InChI InChI=1S/C23H23N3O6S/c1-14(2)16-5-8-18(9-6-16)33(29,30)25-23(28)22(26-21(27)11-4-15(3)24-26)17-7-10-19-20(12-17)32-13-31-19/h4-12,14,22H,13H2,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the antagonism at the Endothelin B receptor in isolated rabbit jugularis vein				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50290954 (4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isopropyl-benzenes...) Show SMILES CCCc1cc(ccc1OC(C(=O)[N-]S(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1)C([O-])=O Show InChI InChI=1S/C28H29NO8S/c1-4-5-19-14-21(28(31)32)9-12-23(19)37-26(20-8-13-24-25(15-20)36-16-35-24)27(30)29-38(33,34)22-10-6-18(7-11-22)17(2)3/h6-15,17,26H,4-5,16H2,1-3H3,(H2,29,30,31,32)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]-ET-1 (endothelin 1) to the endothelin A receptor of rat aorta membranes				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075412 (1-(2,5-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cc(OC)ccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-18-10-8-16(9-11-18)23-24(28(31)32)27(30)29(15-17-14-19(34-2)12-13-21(17)35-3)25-20-6-4-5-7-22(20)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070872 (CHEMBL276362 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC(C)C)c(OC(C)C)c(OC(C)C)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C33H36N2O7S/c1-18(2)40-28-15-21(16-29(41-19(3)4)32(28)42-20(5)6)14-25(31(36)22-8-11-24(39-7)12-9-22)30(33(37)38)23-10-13-26-27(17-23)35-43-34-26/h8-13,15-20H,14H2,1-7H3,(H,37,38)/p-1/b30-25-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070880 (CHEMBL48315 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1cc(C\C(C(=O)c2ccc(OC(C)C)cc2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C29H28N2O7S/c1-16(2)38-20-9-6-18(7-10-20)27(32)21(12-17-13-24(35-3)28(37-5)25(14-17)36-4)26(29(33)34)19-8-11-22-23(15-19)31-39-30-22/h6-11,13-16H,12H2,1-5H3,(H,33,34)/p-1/b26-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070883 (CHEMBL300201 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1cc(C\C(C(=O)c2ccc(OC(C)C)c(F)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C29H27FN2O7S/c1-15(2)39-23-9-7-18(13-20(23)30)27(33)19(10-16-11-24(36-3)28(38-5)25(12-16)37-4)26(29(34)35)17-6-8-21-22(14-17)32-40-31-21/h6-9,11-15H,10H2,1-5H3,(H,34,35)/p-1/b26-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070870 (CHEMBL52535 | Sodium; (Z)-3-benzo[1,3]dioxol-5-ylm...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc2OCOc2c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H18N2O6S/c1-31-17-6-3-15(4-7-17)24(28)18(10-14-2-9-21-22(11-14)33-13-32-21)23(25(29)30)16-5-8-19-20(12-16)27-34-26-19/h2-9,11-12H,10,13H2,1H3,(H,29,30)/p-1/b23-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069573 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...) Show SMILES CCCOc1ccc2n(Cc3ccc4nsnc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C26H21N3O5S/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to porcine kidney (inner medulla) membranes Endothelin B receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075417 (1-(2-Methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO6/c1-32-18-13-11-16(12-14-18)22-23(27(30)31)26(29)28(15-17-7-3-5-9-20(17)33-2)24-19-8-4-6-10-21(19)34-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075424 (7-Methanesulfonylamino-1-(2-methoxy-benzyl)-4-(4-m...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(NS(C)(=O)=O)ccc21 Show InChI InChI=1S/C28H24N2O8S/c1-36-19-11-8-16(9-12-19)23-24(28(32)33)27(31)30(15-17-6-4-5-7-21(17)37-2)25-20-13-10-18(29-39(3,34)35)14-22(20)38-26(23)25/h4-14,29H,15H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069565 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H21NO8/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)25(26(28)29)24(16)15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070875 (CHEMBL433090 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1cc(C\C(C(=O)c2ccc(OC(F)F)cc2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C27H22F2N2O7S/c1-35-21-11-14(12-22(36-2)25(21)37-3)10-18(24(32)15-4-7-17(8-5-15)38-27(28)29)23(26(33)34)16-6-9-19-20(13-16)31-39-30-19/h4-9,11-13,27H,10H2,1-3H3,(H,33,34)/p-1/b23-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50070888 (CHEMBL298725 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1F)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H23FN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to porcine kidney (inner medulla) membranes Endothelin B receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair

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